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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[(2R,3R,3aR,6S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
|
498.70
|
6.4
|
3
|
5
|
94.83
|
10
|
|
|
(2R,3R,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
|
502.70
|
5.8
|
4
|
6
|
115.06
|
2
|
|
|
[(1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4-acetyloxy-13-hydroxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] (Z)-2-methylbut-2-enoate
|
504.60
|
2.8
|
1
|
8
|
111.66
|
6
|
|
|
Littorachalcone
|
514.50
|
5.9
|
5
|
8
|
144.52
|
10
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(2R,3S,4S)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
522.50
|
0.6
|
6
|
11
|
167.53
|
9
|
|
|
(6aS,11aS)-8-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
|
522.50
|
6.2
|
2
|
7
|
90.52
|
5
|
|
|
Tocladesine
|
363.65
|
-1.6
|
3
|
10
|
164.65
|
1
|
|
|
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
536.70
|
0.9
|
5
|
9
|
145.91
|
3
|
|
|
Amaralin
|
264.32
|
1.7
|
1
|
4
|
59.06
|
0
|
|
|
N-[1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
|
547.50
|
-1.1
|
5
|
11
|
173.24
|
7
|
|
|
Ergosinine
|
547.60
|
1.8
|
3
|
6
|
118.21
|
4
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxane-3,4,5-triol
|
552.50
|
-0.5
|
9
|
13
|
218.99
|
8
|
|
|
Zamamistatin
|
338.98
|
0.5
|
2
|
4
|
73.48
|
2
|
|
|
Traxillaside
|
564.60
|
1.8
|
4
|
12
|
162.6
|
11
|
|
|
Dendronobiloside A
|
564.70
|
0.2
|
8
|
12
|
198.76
|
9
|
|
|
Aeroplysinin I
|
338.98
|
0.5
|
2
|
4
|
73.48
|
2
|
|
|
Bruceajavanin A
|
568.70
|
5.8
|
0
|
7
|
91.43
|
6
|
|
|
Orthosiphol M
|
570.60
|
2.8
|
2
|
10
|
153.5
|
8
|
|
|
4,6,7-trimethoxy-9-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzodioxol-5-yl]-1H-benzo[f][2]benzofuran-3-one
|
572.50
|
1.8
|
4
|
13
|
171.83
|
7
|
|
|
10-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-8-(2,4,5-trihydroxyphenyl)pyrano[3,2-g]chromen-6-one
|
572.70
|
9
|
4
|
7
|
120.36
|
8
|
|
|
Cerberin
|
576.70
|
2.7
|
2
|
9
|
120.75
|
6
|
|
|
(-)-Lyoniresinol 9'-O-glucoside
|
582.60
|
0.4
|
7
|
13
|
196.99
|
10
|
|
|
Bidebiline C
|
584.60
|
8.2
|
2
|
8
|
79.44
|
3
|
|
|
Malabaricone C
|
358.40
|
5.7
|
4
|
5
|
97.99
|
10
|
|
|
7-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
|
594.50
|
-0.4
|
8
|
15
|
238.2
|
8
|
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